Vitas-M small molecule compound

methyl (4Z)-1-(3,4-dichlorophenyl)-4-(2-ethoxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160024
SMILES CCOc1ccccc1/C=C/1\C(=O)N(C(=C1C(=O)OC)C)c1ccc(c(c1)Cl)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H19Cl2NO4 MW 432.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO4/c1-4-29-19-8-6-5-7-14(19)11-16-20(22(27)28-3)13(2)25(21(16)26)15-9-10-17(23)18(24)12-15/h5-12H,4H2,1-3H3/b16-11-
InChIKey
WSRSVJQILNDGQB-WJDWOHSUSA-N
Synonyms

CCOC1=CC=CC=C1C=C2C(=C(N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)C(=O)OC
CCOc1ccccc1C=C1C(=O)N(C(=C1C(=O)OC)C)c1ccc(c(c1)Cl)Cl
InChI=1SC22H19Cl2NO4c142919865714(19)111620(22(27)283)13(2)25(21(16)26)1591017(23)18(24)1215h512H4H213H3b1611
METHYL(4Z)1(34DICHLOROPHENYL)4((2ETHOXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(34DICHLOROPHENYL)4(2ETHOXYBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL1(34DICHLOROPHENYL)3((2ETHOXYPHENYL)METHYLENE)5METHYL2OXOAZOLINE4CARBOXYLATE
MFCD01894036
ZINC000008722025
ZINC08722025
ZINC8722025

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.